1-(azepan-1-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2C)C3=CC=CO3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2C)C3=CC=CO3

InChI

InChI=1S/C16H22N4O2S/c1-12(15(21)20-9-5-3-4-6-10-20)23-16-18-17-14(19(16)2)13-8-7-11-22-13/h7-8,11-12H,3-6,9-10H2,1-2H3